| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7342WYG80Y |
| EPA CompTox | DTXSID80218409 |
Structure
| InChI Key | YHWNASRGLKJRJJ-KRWDZBQOSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.13 |
| AlogP | 4.02 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 86.99 |
| Heavy Atoms | 25.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68236-13-5 |
| NORMAN SUSDAT | |
| FDA SRS | 7342WYG80Y |
CONTENTS
